0 B6R0.1 C=CC(=O)OCC BBL011497 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CCOC(=O)CBr BBL027288 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCOC(=O)CCl BBL012578 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCOC(=O)CS BBL011508 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCOC(=O)NN BBL027647 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CNCC(=O)NC BBL030504 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 COC(=O)CCBr BBL027291 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 COC(=O)CCN BBL010085 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 COCC(=O)NN BBL013411 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C=COC(C)=O BBL036266 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CC(=O)CCO BBL028076 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CC(C)=CCO BBL011665 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CCCC(=O)Cl BBL011417 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CCOC(=O)Cl BBL011487 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(=O)O BBL009707 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(N)=O BBL011928 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 COCC(=O)Cl BBL027308 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CSCC(C)=O BBL100878 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 C\C=C\C(=O)Cl BBL011366 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 C\C=C\C(=O)O BBL027395 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.2 CCCCC=O BBL027632 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.3 C=CC(=O)OC BBL011432 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.3 CCC(=O)CC BBL027755 [1,0,0,0,0,0|0,0,1]=2 23 B5R0.3 CCC(=O)NN BBL036933 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 CCC(=O)NO BBL011342 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.3 CNC(=O)NC BBL011513 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 COC(=O)CO BBL009725 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.3 COC(=O)CS BBL011360 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 COC(=O)NN BBL027646 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.2 COC(=O)CC(C)C BBL011395 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.3 CCCCC(=O)CC BBL011476 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.3 CNC(=O)CCCN BBL022745 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.3 CNCCC(=O)NC BBL023441 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.3 COC(=O)CCCCl BBL011535 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.3 COC(=O)\C=C\CBr BBL011112 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.3 CO\C=C\C(=O)OC BBL028237 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,0,0,0,0|0,0,2]=3 43 B7R0.7 CCNC(=O)CCCl BBL037203 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.7 CCOC(=O)CC#N BBL012203 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.7 CCOC(=O)CNN BBL012499 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.10 CNC(=O)C(=O)NC BBL012545 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.10 COC(=O)C(=O)NN BBL011144 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.10 COC(=O)C(=O)OC BBL011507 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 CCC1=NC=CN1 BBL027503 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.1 CCN1C=CC=N1 BBL038143 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.1 NCC1=CC=CO1 BBL011620 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 NCC1=CC=NN1 BBL038226 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.2 CC1=CC(O)=NO1 BBL033480 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.2 CC1=NNC(N)=C1 BBL010620 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.2 CC1=NOC(N)=C1 BBL010138 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.2 CC1COC(=O)O1 BBL027518 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 NC1=CC(=O)CC1 BBL032125 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.2 O=C1C=C(Cl)CC1 BBL032126 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.2 O=C1CCC(=O)C1 BBL011146 [0,0,0,1,0,0|1,0,1]=3 62 B7R1.2 O=C1CNC(=O)N1 BBL013200 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 O=C1CNC(=S)N1 BBL037427 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 O=C1CNC(=S)S1 BBL029808 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.3 O=C1CCCCN1 BBL027557 [0,0,0,1,0,0|1,0,1]=3 66 B7R1.3 O=C1CCOCC1 BBL027597 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.4 CC1=CC=NN1C BBL029437 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.4 NC1CCOC1=O BBL027998 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.4 NC1CCSC1=O BBL028068 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.4 NC1CONC1=O BBL016489 [0,0,0,1,0,0|3,0,0]=4 71 B4R0.1 CC(=O)CCl BBL036265 [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 CC(=O)CO BBL011436 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 CC(=O)NN BBL018600 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 CCC(C)O BBL011463 [2,0,0,0,0,0|0,0,2]=4 75 B4R0.1 CNC(N)=O BBL013131 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 COC(=O)Cl BBL011482 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 COC(N)=O BBL011430 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 O=C(Br)CBr BBL027286 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 O=C(Cl)CCl BBL013127 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 O=C(O)CCl BBL037260 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.2 C\C=C\C#N BBL036260 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|0,0,0]=2 83 B4R0.2 C\C=C\CO BBL027414 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.2 CC(=O)NC(=N)N BBL013469 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.2 CC(=O)NC(N)=S BBL011418 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.3 COC(=O)C(C)=O BBL027724 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.4 CC(=O)CCCCl BBL010617 [1,1,0,0,0,0|0,0,2]=4 90 B6R0.4 CC(=O)NCCN BBL027688 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.4 CCCCC(C)=O BBL011434 [1,1,0,0,0,0|0,0,2]=4 92 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,2,0,0,0,0|0,0,1]=3 94 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,2,0,0,0,0|0,0,2]=4 95 B8R0.19 COC(=O)CC(=O)CCl BBL027316 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.19 COC(=O)CC(=O)OC BBL011438 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.23 CC(=O)CC(=O)C(F)F BBL037416 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.1 CCOC(=O)CCCCl BBL011514 [0,2,0,0,0,0|0,0,2]=4 99 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [0,2,0,0,0,0|0,0,0]=2 100 B8R0.3 CCOC(=O)C(Br)CBr BBL011515 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.3 CCOC(=O)\C(Cl)=N\O BBL013029 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.6 CCCCCC(=O)CC BBL011431 [0,2,0,0,0,0|0,0,2]=4 104 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,2,0,0,0,0|0,0,2]=4 105 B8R0.9 COC(=O)CCC(C)=O BBL011529 [0,2,0,0,0,0|1,0,1]=4 106 B6R1.2 O=C1C=CCC1 BBL100014 [1,0,0,1,0,0|0,0,0]=2 107 B6R1.2 O=C1CCSC1 BBL027522 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.1 CC1=NC(CN)=CS1 BBL030475 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.1 CN1C=CC(CN)=N1 BBL104303 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,1,0,0|0,0,2]=4 111 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,1,0,0|0,0,2]=4 114 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,1,0,0|0,0,2]=4 115 B8R1.22 O=C1CCCCCO1 BBL011394 [0,1,0,1,0,0|0,0,2]=4 116 B8R1.50 O=C1CCC(=O)N1Cl BBL027530 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.50 O=C1OCC(O)=C1Br BBL031583 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.8 CNCC1=CC=NN1 BBL040747 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.8 NCCC1=CC=CS1 BBL001466 [0,1,0,1,0,0|0,1,1]=4 120 B8R1.11 CCN1N=CC=C1C BBL039617 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.11 CCN1N=CC=C1N BBL040281 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.11 CN1C=CC=C1C=O BBL001423 [0,1,0,1,0,0|1,0,1]=4